3-methyl-2-(phenylsulfonyl)pentanoic acid

Systemtic Name: 3-methyl-2-(phenylsulfonyl)pentanoic acid Openeye Name: 2-(benzenesulfonyl)-3-methyl-pentanoic acid CAS Name: 2-(benzenesulfonyl)-3-methylpentanoic acid IUPAC Name: 2-(benzenesulfonyl)-3-methylpentanoic acid Traditional Name: 2-besyl-3-methyl-valeric acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)O)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H16O4S/c1-3-9(2)11(12(13)14)17(15,16)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,13,14)